1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea

C18H28N2O3 — CID 60554326

IUPAC1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea
SMILESCCCCOc1ccc(NC(=O)NC2CCC(O)CC2)c(C)c1
InChIInChI=1S/C18H28N2O3/c1-3-4-11-23-16-9-10-17(13(2)12-16)20-18(22)19-14-5-7-15(21)8-6-14/h9-10,12,14-15,21H,3-8,11H2,1-2H3,(H2,19,20,22)
InChIKeyNZGFDDQALQCPAV-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.60
Rot. Bonds6

About 1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea

1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea (PubChem CID 60554326) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea
PubChem CID60554326
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea
SMILESCCCCOc1ccc(NC(=O)NC2CCC(O)CC2)c(C)c1
InChIInChI=1S/C18H28N2O3/c1-3-4-11-23-16-9-10-17(13(2)12-16)20-18(22)19-14-5-7-15(21)8-6-14/h9-10,12,14-15,21H,3-8,11H2,1-2H3,(H2,19,20,22)
InChIKeyNZGFDDQALQCPAV-UHFFFAOYSA-N
XLogP3.60
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 110933023
1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea
CID 110890850
(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 119739406
(2R)-2-[(4-butoxy-2-methylphenyl)carbamoylamino]-N-ethylpropanamide
CID 95280435
3-[(4-butoxy-2-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077403
(2S)-2-[(4-butoxy-2-methylphenyl)carbamoylamino]-N-ethylpropanamide
CID 95280434
1-(4-butoxy-2-methylphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60554085
tert-butyl N-(4-butoxy-2-methylphenyl)carbamate
CID 140675962
3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
1-(4-amino-2-methylphenyl)-3-cyclopropylurea
CID 62698146
1-(4-butoxy-2-methylphenyl)-3-[(4-fluorophenyl)methyl]urea
CID 60554481

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea (CID 60554326) is 1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea is CCCCOc1ccc(NC(=O)NC2CCC(O)CC2)c(C)c1.
What is the InChIKey of 1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea?
The InChIKey is NZGFDDQALQCPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-4-11-23-16-9-10-17(13(2)12-16)20-18(22)19-14-5-7-15(21)8-6-14/h9-10,12,14-15,21H,3-8,11H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea?
1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea has a molecular weight of 320.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 60554326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).